5-tert-butyl-N-(pyrrolidin-2-ylmethyl)-1H-pyrrol-2-amine

C13H23N3 — CID 91415480

IUPAC5-tert-butyl-N-(pyrrolidin-2-ylmethyl)-1H-pyrrol-2-amine
SMILESCC(C)(C)c1ccc(NCC2CCCN2)[nH]1
InChIInChI=1S/C13H23N3/c1-13(2,3)11-6-7-12(16-11)15-9-10-5-4-8-14-10/h6-7,10,14-16H,4-5,8-9H2,1-3H3
InChIKeyRFKFGQKAIIXHGU-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.48
Rot. Bonds3

About 5-tert-butyl-N-(pyrrolidin-2-ylmethyl)-1H-pyrrol-2-amine

5-tert-butyl-N-(pyrrolidin-2-ylmethyl)-1H-pyrrol-2-amine (PubChem CID 91415480) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 5-tert-butyl-N-(pyrrolidin-2-ylmethyl)-1H-pyrrol-2-amine.

Molecular Properties

Compound Name5-tert-butyl-N-(pyrrolidin-2-ylmethyl)-1H-pyrrol-2-amine
PubChem CID91415480
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name5-tert-butyl-N-(pyrrolidin-2-ylmethyl)-1H-pyrrol-2-amine
SMILESCC(C)(C)c1ccc(NCC2CCCN2)[nH]1
InChIInChI=1S/C13H23N3/c1-13(2,3)11-6-7-12(16-11)15-9-10-5-4-8-14-10/h6-7,10,14-16H,4-5,8-9H2,1-3H3
InChIKeyRFKFGQKAIIXHGU-UHFFFAOYSA-N
XLogP2.48
TPSA39.85 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

5-tert-butyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine
CID 116974786
5-cyclohexyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine
CID 116974804
1-(4-tert-butylphenyl)-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106637049
3-chloro-N-(pyrrolidin-2-ylmethyl)pyridin-4-amine
CID 79841307
N-[[(2S)-pyrrolidin-2-yl]methyl]hydroxylamine
CID 91407987
2-methylsulfanyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine;hydrochloride
CID 71643330
6-methoxy-N-(pyrrolidin-2-ylmethyl)pyridin-3-amine
CID 106636193
2-N-methyl-3-N-[[(2S)-pyrrolidin-2-yl]methyl]quinoxaline-2,3-diamine
CID 97164706
3-methoxy-N-(pyrrolidin-2-ylmethyl)aniline
CID 75062155
4-(pyrrolidin-2-ylmethylamino)benzoic acid
CID 106636873
2-methylsulfanyl-N-(pyrrolidin-2-ylmethyl)aniline
CID 106637178
2,3,5,6-tetramethyl-N-(pyrrolidin-2-ylmethyl)aniline
CID 115208055

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-(pyrrolidin-2-ylmethyl)-1H-pyrrol-2-amine?
The IUPAC name of 5-tert-butyl-N-(pyrrolidin-2-ylmethyl)-1H-pyrrol-2-amine (CID 91415480) is 5-tert-butyl-N-(pyrrolidin-2-ylmethyl)-1H-pyrrol-2-amine.
What is the SMILES notation for 5-tert-butyl-N-(pyrrolidin-2-ylmethyl)-1H-pyrrol-2-amine?
The canonical SMILES for 5-tert-butyl-N-(pyrrolidin-2-ylmethyl)-1H-pyrrol-2-amine is CC(C)(C)c1ccc(NCC2CCCN2)[nH]1.
What is the InChIKey of 5-tert-butyl-N-(pyrrolidin-2-ylmethyl)-1H-pyrrol-2-amine?
The InChIKey is RFKFGQKAIIXHGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-13(2,3)11-6-7-12(16-11)15-9-10-5-4-8-14-10/h6-7,10,14-16H,4-5,8-9H2,1-3H3.
What are the key properties of 5-tert-butyl-N-(pyrrolidin-2-ylmethyl)-1H-pyrrol-2-amine?
5-tert-butyl-N-(pyrrolidin-2-ylmethyl)-1H-pyrrol-2-amine has a molecular weight of 221.35 g/mol, XLogP of 2.48, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-(pyrrolidin-2-ylmethyl)-1H-pyrrol-2-amine is sourced from PubChem (CID 91415480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).